tetraazanium 4-methylbenzenesulfonate

Systemtic Name: tetraazanium 4-methylbenzenesulfonate Openeye Name: tetraammonium 4-methylbenzenesulfonate CAS Name: tetraammonium 4-methylbenzenesulfonate IUPAC Name: tetraazanium 4-methylbenzenesulfonate Traditional Name: tetraammonium tetratosylate Formula: C28H44N4O12S4 MolecularWeight: 756.92856

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].[NH4+].[NH4+].[NH4+].[NH4+]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].CC1=CC=C(C=C1)S(=O)(=O)[O-].[NH4+].[NH4+].[NH4+].[NH4+]

InChI

InChI=1S/4C7H8O3S.4H3N/c4*1-6-2-4-7(5-3-6)11(8,9)10;;;;/h4*2-5H,1H3,(H,8,9,10);4*1H3